| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(3-pyrrolidin…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.49 | 5.66 | -160.27 | 5 | 4 | 3 | 40 | 271.473 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.31 | -33.29 | 3 | 4 | 1 | 37 | 269.457 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.68 | -82.12 | 4 | 4 | 2 | 39 | 270.465 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 1.23 | -43.01 | 3 | 4 | 1 | 37 | 269.457 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 3.48 | -90.07 | 4 | 4 | 2 | 39 | 270.465 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 5.93 | -163.43 | 5 | 4 | 3 | 40 | 271.473 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
